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ThHg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are six shorter (3.25 Å) and six longer (3.59 Å) Th–Hg bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Th and four equivalent Hg atoms. There are three shorter (2.91 Å) and one longer (3.14 Å) Hg–Hg bond lengths.
Th2Hg is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Hg atoms. All Th–Hg bond lengths are 3.30 Å. Hg is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Hg atoms. Both Hg–Hg bond lengths are 2.94 Å.
ThHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing ThHg12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.42 Å) Th–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Th atoms.
ThHg3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to six equivalent Hg atoms. All Th–Hg bond lengths are 3.32 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to six equivalent Hg atoms. All Hg–Hg bond lengths are 3.14 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to three equivalent Th and three equivalent Hg atoms.
ThHg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent Hg atoms to form a mixture of distorted edge and corner-sharing ThHg6 cuboctahedra. All Th–Hg bond lengths are 3.37 Å. Hg is bonded in a distorted hexagonal planar geometry to six equivalent Th atoms.
Th3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to eight Th and four equivalent Hg atoms to form distorted ThTh8Hg4 cuboctahedra that share corners with twelve equivalent ThTh8Hg4 cuboctahedra, edges with eight equivalent ThTh8Hg4 cuboctahedra, edges with eight equivalent HgTh12 cuboctahedra, faces with four equivalent HgTh12 cuboctahedra, and faces with ten equivalent ThTh8Hg4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.51 Å) Th–Th bond lengths. All Th–Hg bond lengths are 3.51 Å. In the second Th site, Th is bonded in a distorted square co-planar geometry to eight equivalent Th and four equivalent Hg atoms. All Th–Hg bond lengths are 3.44 Å. Hg is bonded to twelve Th atoms to form HgTh12 cuboctahedra that share corners with four equivalent HgTh12 cuboctahedra, edges with eight equivalent HgTh12 cuboctahedra, edges with sixteen equivalent ThTh8Hg4 cuboctahedra, faces with four equivalent HgTh12 cuboctahedra, and faces with eight equivalent ThTh8Hg4 cuboctahedra.